SCHEMBL6824508

SCHEMBL6824508

CN1CC[C@@H](Oc2cc(NS(=O)(=O)c3ccc(Sc4ccc(F)cc4)cc3)ccc2C(F)(F)F)C1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 16/20 0.64
FFAR4 Q5NUL3 1/20 0.44
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
GHSR Q92847 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6824514 1.00 UTS2R (0.64) UTS2RFFAR4ALDH1A1MAPK1TP53
SCHEMBL6817433 0.94 UTS2R (0.68) UTS2RFFAR4TP53GHSR
SCHEMBL6821079 0.93 UTS2R (0.64) UTS2RALDH1A1MAPK1
SCHEMBL6821074 0.93 UTS2R (0.64) UTS2RALDH1A1MAPK1
SCHEMBL6821091 0.92 UTS2R (0.59) UTS2RFFAR4ALDH1A1TP53
SCHEMBL6821087 0.92 UTS2R (0.59) UTS2RFFAR4ALDH1A1TP53
SCHEMBL6821133 0.91 UTS2R (0.61) UTS2RFFAR4TP53
SCHEMBL8339703 0.91 UTS2R (0.61) UTS2R
SCHEMBL6821124 0.91 UTS2R (0.61) UTS2RFFAR4TP53
SCHEMBL6820384 0.90 UTS2R (0.59) UTS2RALDH1A1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO claimed
WO-2004043917-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed